SCHEMBL1998411

SCHEMBL1998411

[CH2]C(=O)NC(CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
PTGS2 P35354 1/20 0.61
THPO P40225 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ACE P12821 1/20 0.55
FOLH1 Q04609 2/20 0.52
PTGS1 P23219 2/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
ENPEP Q07075 2/20 0.38
GSTK1 Q9Y2Q3 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9250416 0.81 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2352541 0.80 KDM4E (0.67) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2352537 0.80 KDM4E (0.67) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4984856 0.80 KDM4E (0.67) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL28494459 0.78 KDM4E (0.64) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL28494458 0.78 KDM4E (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18306374 0.77 MAPT (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13659830 0.77 MAPT (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1982855 0.77 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929193 0.77 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883645-B1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (CA) 2011-06-29 EP claimed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST KDM4E 422/4885MAPT 2229/4885THRB 4276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.